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Computational modelling of large deformations in layered-silicate/PET nanocomposites near the glass transition
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Figiel, Lukasz, Dunne, Fionn P. E. and Buckley, C. Paul (2010) Computational modelling of large deformations in layered-silicate/PET nanocomposites near the glass transition. Modelling and Simulation in Materials Science and Engineering, Volume 18 (Number 1). Article number 015001. doi:10.1088/0965-0393/18/1/015001 ISSN 0965-0393.
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Official URL: http://dx.doi.org/10.1088/0965-0393/18/1/015001
Abstract
Layered-silicate nanoparticles offer a cost-effective reinforcement for thermoplastics. Computational modelling has been employed to study large deformations in layered-silicate/poly(ethylene terephthalate) (PET) nanocomposites near the glass transition, as would be experienced during industrial forming processes such as thermoforming or injection stretch blow moulding. Non-linear numerical modelling was applied, to predict the macroscopic large deformation behaviour, with morphology evolution and deformation occurring at the microscopic level, using the representative volume element (RVE) approach. A physically based elasto-viscoplastic constitutive model, describing the behaviour of the PET matrix within the RVE, was numerically implemented into a finite element solver (ABAQUS) using an UMAT subroutine. The implementation was designed to be robust, for accommodating large rotations and stretches of the matrix local to, and between, the nanoparticles. The nanocomposite morphology was reconstructed at the RVE level using a Monte-Carlo-based algorithm that placed straight, high-aspect ratio particles according to the specified orientation and volume fraction, with the assumption of periodicity. Computational experiments using this methodology enabled prediction of the strain-stiffening behaviour of the nanocomposite, observed experimentally, as functions of strain, strain rate, temperature and particle volume fraction. These results revealed the probable origins of the enhanced strain stiffening observed: (a) evolution of the morphology (through particle re-orientation) and (b) early onset of stress-induced pre-crystallization (and hence lock-up of viscous flow), triggered by the presence of particles. The computational model enabled prediction of the effects of process parameters (strain rate, temperature) on evolution of the morphology, and hence on the end-use properties.
Item Type: | Journal Article | ||||||||||
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Divisions: | Faculty of Science, Engineering and Medicine > Engineering > WMG (Formerly the Warwick Manufacturing Group) | ||||||||||
Journal or Publication Title: | Modelling and Simulation in Materials Science and Engineering | ||||||||||
Publisher: | IOP Publishing | ||||||||||
ISSN: | 0965-0393 | ||||||||||
Official Date: | 2010 | ||||||||||
Dates: |
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Volume: | Volume 18 | ||||||||||
Number: | Number 1 | ||||||||||
Article Number: | Article number 015001 | ||||||||||
DOI: | 10.1088/0965-0393/18/1/015001 | ||||||||||
Status: | Peer Reviewed | ||||||||||
Publication Status: | Published | ||||||||||
Access rights to Published version: | Restricted or Subscription Access |
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